N-[[(E)-[(1Z,4E)-1-[6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-4-(ethyliminomethyl)-1,5-bis(methylideneamino)penta-1,4-dien-3-ylidene]amino]methyl]-N-methylethanamine

C24H36N6 — CID 143514798

About N-[[(E)-[(1Z,4E)-1-[6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-4-(ethyliminomethyl)-1,5-bis(methylideneamino)penta-1,4-dien-3-ylidene]amino]methyl]-N-methylethanamine

N-[[(E)-[(1Z,4E)-1-[6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-4-(ethyliminomethyl)-1,5-bis(methylideneamino)penta-1,4-dien-3-ylidene]amino]methyl]-N-methylethanamine (PubChem CID 143514798) has the molecular formula C24H36N6 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[[(E)-[(1Z,4E)-1-[6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-4-(ethyliminomethyl)-1,5-bis(methylideneamino)penta-1,4-dien-3-ylidene]amino]methyl]-N-methylethanamine.

Molecular Properties

• Compound Name: N-[[(E)-[(1Z,4E)-1-[6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-4-(ethyliminomethyl)-1,5-bis(methylideneamino)penta-1,4-dien-3-ylidene]amino]methyl]-N-methylethanamine
• PubChem CID: 143514798
• Molecular Formula: C24H36N6
• Molecular Weight: 408.59 g/mol
• Exact Mass: 408.30
• IUPAC Name: N-[[(E)-[(1Z,4E)-1-[6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-4-(ethyliminomethyl)-1,5-bis(methylideneamino)penta-1,4-dien-3-ylidene]amino]methyl]-N-methylethanamine
• SMILES: C=CC1=C(/C=C\C)CCCN1/C(=C/C(=N\CN(C)CC)C(/C=N/CC)=C/N=C)N=C
• InChI: InChI=1S/C24H36N6/c1-8-13-20-14-12-15-30(23(20)9-2)24(26-6)16-22(28-19-29(7)11-4)21(17-25-5)18-27-10-3/h8-9,13,16-18H,2,5-6,10-12,14-15,19H2,1,3-4,7H3/b13-8-,21-17+,24-16+,27-18+,28-22+
• InChIKey: DJRANHUMIRNLKW-XUGWLVOMSA-N
• XLogP: 4.67
• TPSA: 55.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.59
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(E)-[(1Z,4E)-1-[6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-4-(ethyliminomethyl)-1,5-bis(methylideneamino)penta-1,4-dien-3-ylidene]amino]methyl]-N-methylethanamine?

The IUPAC name of N-[[(E)-[(1Z,4E)-1-[6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-4-(ethyliminomethyl)-1,5-bis(methylideneamino)penta-1,4-dien-3-ylidene]amino]methyl]-N-methylethanamine (CID 143514798) is N-[[(E)-[(1Z,4E)-1-[6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-4-(ethyliminomethyl)-1,5-bis(methylideneamino)penta-1,4-dien-3-ylidene]amino]methyl]-N-methylethanamine.

What is the SMILES notation for N-[[(E)-[(1Z,4E)-1-[6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-4-(ethyliminomethyl)-1,5-bis(methylideneamino)penta-1,4-dien-3-ylidene]amino]methyl]-N-methylethanamine?

The canonical SMILES for N-[[(E)-[(1Z,4E)-1-[6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-4-(ethyliminomethyl)-1,5-bis(methylideneamino)penta-1,4-dien-3-ylidene]amino]methyl]-N-methylethanamine is C=CC1=C(/C=C\C)CCCN1/C(=C/C(=N\CN(C)CC)C(/C=N/CC)=C/N=C)N=C.

What is the InChIKey of N-[[(E)-[(1Z,4E)-1-[6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-4-(ethyliminomethyl)-1,5-bis(methylideneamino)penta-1,4-dien-3-ylidene]amino]methyl]-N-methylethanamine?

The InChIKey is DJRANHUMIRNLKW-XUGWLVOMSA-N. The full InChI is InChI=1S/C24H36N6/c1-8-13-20-14-12-15-30(23(20)9-2)24(26-6)16-22(28-19-29(7)11-4)21(17-25-5)18-27-10-3/h8-9,13,16-18H,2,5-6,10-12,14-15,19H2,1,3-4,7H3/b13-8-,21-17+,24-16+,27-18+,28-22+.

What are the key properties of N-[[(E)-[(1Z,4E)-1-[6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-4-(ethyliminomethyl)-1,5-bis(methylideneamino)penta-1,4-dien-3-ylidene]amino]methyl]-N-methylethanamine?

N-[[(E)-[(1Z,4E)-1-[6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-4-(ethyliminomethyl)-1,5-bis(methylideneamino)penta-1,4-dien-3-ylidene]amino]methyl]-N-methylethanamine has a molecular weight of 408.59 g/mol, XLogP of 4.67, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(E)-[(1Z,4E)-1-[6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-4-(ethyliminomethyl)-1,5-bis(methylideneamino)penta-1,4-dien-3-ylidene]amino]methyl]-N-methylethanamine is sourced from PubChem (CID 143514798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).